Basic information
- CAS
30714-38-6- Standard SMILES
NCCSSCC(N)C(=O)O- InChIKey
WYQFVGPQTGCDJH-UHFFFAOYSA-N- Molecular formula
- C5H12N2O2S2
- Average molar mass
- 196.3 g/mol
- Monoisotopic mass
- 196.03401998
Names & identifiers
- Preferred name
- 3-((2-Aminoethyl)dithio)alanine
- IUPAC
- 2-amino-3-(2-aminoethyldisulfanyl)propanoic acid
Names & synonyms
3-((2-Aminoethyl)dithio)alanineNSC 16160130714-38-6NSC1616012-amino-3-(2-aminoethyldisulfanyl)propanoic acidSCHEMBL146249304,5-Dithiaheptanoic acid, 2,7-diamino-
Database identifiers
- CAS
30714-38-6- PubChem CID
- 424083
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…